Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.32 |
| ▸ | KCNA3 | P22001 | 3/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | KCNA2 | P16389 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16432225 | 0.78 | CYP3A4 (0.35) | ALDH1A1CYP3A4CYP2A6MAPTHPGD | |
| SCHEMBL26540300 | 0.78 | TRPA1 (0.42) | TRPA1ALDH1A1CYP3A4CYP2A6MAPT | |
| SCHEMBL806507 | 0.75 | TRPA1 (0.37) | TRPA1ALDH1A1CYP3A4CYP2A6MAPT | |
| SCHEMBL20839528 | 0.75 | CYP3A4 (0.34) | ALDH1A1CYP3A4CYP2A6MAPTHPGD | |
| SCHEMBL28859634 | 0.75 | MAOA (0.37) | ALDH1A1CYP3A4CYP2A6MAPTHPGD | |
| SCHEMBL23330372 | 0.71 | CYP11B1 (0.42) | ALDH1A1HPGDMAOAMAOBKDM4E | |
| SCHEMBL29144468 | 0.71 | FTO (0.41) | ALDH1A1CYP3A4CYP2A6MAPTHPGD | |
| SCHEMBL6334853 | 0.71 | TRPA1 (0.34) | TRPA1ALDH1A1CYP3A4CYP2A6MAPT | |
| SCHEMBL16048354 | 0.68 | MAOA (0.36) | TRPA1MAOAMAOBFTOIDO1 | |
| SCHEMBL4351751 | 0.68 | ALDH1A1 (0.37) | TRPA1ALDH1A1CYP3A4CYP2A6L3MBTL1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6881733-B1 | Serotonergic benzofurans | ELI LILLY AND COMPANY (US) | 2005-04-19 | — | — | US | disclosed |
| EP-1204659-B1 | SEROTONERGIC BENZOFURANS | LILLY CO ELI (US) | 2003-11-26 | — | — | EP | disclosed |
| EP-1204659-A2 | SEROTONERGIC BENZOFURANS | ELI LILLY AND COMPANY (US) | 2002-05-15 | — | — | EP | disclosed |
| WO-2001009122-A2 | SEROTONERGIC BENZOFURANS | ELI LILLY AND COMPANY (US) | 2001-02-08 | — | — | WO | disclosed |